SCHEMBL3570374

SCHEMBL3570374

CC(C)(O)C#Cc1cncc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA2 Q15822 1/20 0.42
PIKFYVE Q9Y2I7 6/20 0.38
PAK4 O96013 4/20 0.38
MAP3K14 Q99558 4/20 0.36
TTBK1 Q5TCY1 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
DDO Q99489 1/20 0.35
PAK1 Q13153 1/20 0.34
PKN1 Q16512 1/20 0.34
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.34
TNIK Q9UKE5 4/20 0.33
ASIC3 Q9UHC3 1/20 0.33
PRKX P51817 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30092382 0.73 MAP3K14 (0.45) PIKFYVEPAK4MAP3K14TTBK1ALDH1A1
SCHEMBL471131 0.73 MAP3K14 (0.45) PIKFYVEPAK4MAP3K14TTBK1ALDH1A1
SCHEMBL2807618 0.73 ALDH1A1 (0.44) PIKFYVEPAK4MAP3K14TTBK1KDM4E
SCHEMBL503839 0.72 KDM4E (0.34) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL23883589 0.71 ATM (0.51) CHRNB2CHRNA3CHRNA2KDM4EALDH1A1
SCHEMBL3448180 0.71 APP (0.54) PIKFYVEPAK4TTBK1LMNAPAK1
SCHEMBL15957591 0.70 HRH3 (0.41) CHRNB2CHRNA3CHRNA2KMT2A
SCHEMBL4863464 0.69 CYP2A6 (0.50) CHRNB2
SCHEMBL3576567 0.69 TTBK1 (0.35) PIKFYVEPAK4MAP3K14TTBK1KMT2A
SCHEMBL1476965 0.68 GRM5 (0.55) CHRNB2KDM4EMEN1ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707930-A Aromatic ring compound and its prepn and use 甘李药业股份有限公司 2025-03-28 CN disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 CHRNB2 4425/4885CHRNA3 4095/4885CHRNA2 4345/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.